SCHEMBL23960647

SCHEMBL23960647

NCc1cccc(OC2CNCC(c3ccccc3)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.43
HRH1 P35367 2/20 0.40
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
HTR1A P08908 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
KCNH2 Q12809 2/20 0.36
OPRD1 P41143 1/20 0.35
KDM1A O60341 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
HTR6 P50406 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23932334 0.83 HRH1 (0.44) SLC6A4HRH1KDM1AMAOAMAOB
SCHEMBL23932349 0.79 F10 (0.40) SLC6A4HRH1OPRM1OPRK1KCNH2
SCHEMBL30151669 0.77 BRD4 (0.41) HRH1KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL11145850 0.76 SLC6A4 (0.45) SLC6A4HRH1SLC6A2SLC6A3HTR1A
Hydrochloric Acid SCHEMBL11145855 0.76 SLC6A4 (0.45) SLC6A4HRH1SLC6A2SLC6A3HTR1A
Hydrochloric Acid SCHEMBL11145846 0.76 SLC6A4 (0.45) SLC6A4HRH1SLC6A2SLC6A3HTR1A
SCHEMBL23960572 0.74 RORC (0.37) OPRM1OPRK1KCNH2OPRD1
SCHEMBL23932369 0.74 RORC (0.37) OPRM1OPRK1KCNH2OPRD1
SCHEMBL12696888 0.73 CSNK2A1 (0.45) HRH1OPRM1OPRK1KCNH2MAOB
SCHEMBL6290059 0.73 HRH1 (0.59) SLC6A4HRH1SLC6A2SLC6A3HTR6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021216592-A1 LOX ENZYME INHIBITING METHODS AND COMPOSITIONS ANOVIA BIOSCIENCES, INC. (US) 2021-10-28 WO disclosed